2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate
TL;DR: 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate (CAS 3065-23-4) is a chemical compound with molecular formula C19H18Cl3NO4 and molecular weight 429.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate, 2,4,5-Trichlorophenyl N-[(benzyloxy)carbonyl]-L-valinate, 2,4,5-Trichlorophenyl N-[(benzyloxy)(hydroxy)methylidene]valinate, (2,4,5-trichlorophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate, EINECS 221-313-0
| Molecular Formula | C19H18Cl3NO4 |
|---|---|
| Molecular Weight | 429.03 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.03015 |
| Heavy Atoms | 27 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 3065-23-4 |
|---|---|
| SMILES | CC(C)C(C(=O)OC1=CC(=C(C=C1Cl)Cl)Cl)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | KXDPKWZNNMFNOJ-UHFFFAOYSA-N |
Product Overview
2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate (CAS 3065-23-4), with molecular formula C19H18Cl3NO4 and molecular weight 429.03 g/mol. IUPAC: (2,4,5-trichlorophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate
Property Insights of 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate
The XLogP value of 6.2 indicates that 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate?
The CAS number of 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate is 3065-23-4.
What is the molecular formula of 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate?
The molecular formula of 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate is C19H18Cl3NO4.
What is the molecular weight of 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate?
The molecular weight of 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate is 429.03 g/mol.
Where can I buy 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate?
You can request a quote for 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenyl N-((benzyloxy)carbonyl)-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.